6-Benzyl-2-thiouracil
TL;DR: 6-Benzyl-2-thiouracil (CAS 86758-95-4) is a chemical compound with molecular formula C27H30N4S and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline
Also Known As: 6-Benzyl-2-thiouracil
| Molecular Formula | C27H30N4S |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 5.1527 |
| Topological Polar Surface Area | 22.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.21912 |
| Heavy Atoms | 32 |
| Complexity | 1084.8203 |
Chemical Identifiers
| CAS Number | 86758-95-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=CC=CC=C35 |
Product Overview
6-Benzyl-2-thiouracil (CAS 86758-95-4), with molecular formula C27H30N4S and molecular weight 442.22 g/mol. IUPAC: 4-[[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-N,N-dimethylaniline.
Chemical Property Profile of 6-Benzyl-2-thiouracil
Property Insights of 6-Benzyl-2-thiouracil
The XLogP value of 5.1527 indicates that 6-Benzyl-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.08 Ų, 6-Benzyl-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzyl-2-thiouracil has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Benzyl-2-thiouracil?
The CAS number of 6-Benzyl-2-thiouracil is 86758-95-4.
What is the molecular formula of 6-Benzyl-2-thiouracil?
The molecular formula of 6-Benzyl-2-thiouracil is C27H30N4S.
What is the molecular weight of 6-Benzyl-2-thiouracil?
The molecular weight of 6-Benzyl-2-thiouracil is 442.22 g/mol.
Where can I buy 6-Benzyl-2-thiouracil?
You can request a quote for 6-Benzyl-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.